6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-oxidanylnaphthalen-1-yl)-phenyl-methyl]hexanamide

Systemtic Name: 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-oxidanylnaphthalen-1-yl)-phenyl-methyl]hexanamide Openeye Name: N-[(2-hydroxy-1-naphthyl)-phenyl-methyl]-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-[(2-hydroxy-1-naphthalenyl)-phenylmethyl]-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[(2-hydroxy-1-naphthyl)-phenyl-methyl]hexanamide Formula: C31H27N3O6 MolecularWeight: 537.56258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)NC(=O)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)NC(=O)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H27N3O6/c35-25-18-17-20-10-6-7-13-22(20)28(25)29(21-11-3-1-4-12-21)32-26(36)16-5-2-8-19-33-30(37)23-14-9-15-24(34(39)40)27(23)31(33)38/h1,3-4,6-7,9-15,17-18,29,35H,2,5,8,16,19H2,(H,32,36)